Methyllycaconitine
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML00002
Dataset description:
This MassBank record with Accession MSBNK-Washington_State_Univ-BML00002 contains the MS2 mass spectrum of Methyllycaconitine with the InChIkey XLTANAWLDBYGFU-UHFFFAOYSA-N.
Source: Methyllycaconitine
Chemical Info
| InChI | InChI=1S/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,19,21-22,24-25,27-30,33,43-44H,7,12-18H2,1-6H3 |
|---|---|
| SMILES | CCN1CC2(CCC(C34C2C(C(C31)(C5(CC(C6CC4C5C6OC)OC)O)O)OC)OC)COC(=O)C7=CC=CC=C7N8C(=O)CC(C8=O)C |
| InChI Key | XLTANAWLDBYGFU-UHFFFAOYSA-N |
| Molecular Formula | C37H50N2O10 |
| Exact Mass | 682.347 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | January 11, 2024 |
| Metadata last updated | January 11, 2024 |
| Created | January 11, 2024 |
| Format | HTML |
| License | Attribution-ShareAlike 4.0 International (CC BY-SA 4.0) |
| Id | 481fc89b-5560-48d7-85f7-07ac8d0c6346 |
| Package id | msbnk-washington_state_univ-bml00002 |
| Resource type | HTML |
| State | active |